6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H19N3S — CID 63615784

IUPAC6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(Cc3ccc(C)cc3)nc2s1
InChIInChI=1S/C17H19N3S/c1-4-13-10-14-16(18-3)19-15(20-17(14)21-13)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXNVYRKAFNMQNQU-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.19
Rot. Bonds4

About 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63615784) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63615784
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(Cc3ccc(C)cc3)nc2s1
InChIInChI=1S/C17H19N3S/c1-4-13-10-14-16(18-3)19-15(20-17(14)21-13)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXNVYRKAFNMQNQU-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964785
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614643
[6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63618225
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 65131807
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
2-benzyl-N-(3-chloro-2-methylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964774
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63615784) is 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(Cc3ccc(C)cc3)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XNVYRKAFNMQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-4-13-10-14-16(18-3)19-15(20-17(14)21-13)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63615784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).